
 OpenBabel04291915463D

 45 47  0  0  1  0  0  0  0  0999 V2000
    0.9783   -0.0863   -0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4983   -0.0873   -0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0070    1.0613   -0.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0029    0.0797    1.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0050   -1.4039   -0.6100 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5250   -1.4049   -0.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0316   -2.7215   -1.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5136   -2.7224   -1.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1851   -3.7910   -1.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5003   -1.5709   -2.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8330   -3.7921   -1.6279 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3823   -5.2195   -2.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1851   -1.6546   -0.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4631   -0.5056   -0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2355   -0.5048   -0.2190 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1376    0.5671    0.2459 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7553   -5.4540   -2.3422 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2208   -6.6638   -2.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4231   -7.5211   -3.2299 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6405   -6.9063   -2.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0881   -8.0696   -3.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4085   -8.2951   -3.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8561   -9.4585   -4.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558   -6.0301   -2.5896 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6202   -0.8949    0.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6230   -0.2039   -1.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6216    0.8405    0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6517    0.9437   -1.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0770    1.0606   -0.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503    1.9881   -0.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6449   -0.7288    1.9824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6463    1.0065    1.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0729    0.0790    1.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6469   -2.2124   -0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8802   -1.2873    0.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -0.5963   -1.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764   -2.8390   -2.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6735   -3.5300   -0.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098   -0.6947   -2.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5768   -1.9745   -2.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6691    1.3127    0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3951   -4.7664   -2.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4175   -8.7904   -3.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0791   -7.5744   -3.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2094  -10.3494   -4.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 18 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
>  <SKU>
A15469

>  <Product Name>
CaCCinh-A01

>  <CAS>
407587-33-1

>  <M.Wt>
347.42864

>  <Formula>
C18H21NO4S

>  <Synonyms>
CaCCinh A01

>  <URL>
https://www.adooq.com/caccinh-a01.html

$$$$
